tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate

C20H31N3O2 — CID 54587812

IUPACtert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-14-9-17(10-15-23)16-7-12-22(13-8-16)18-6-4-5-11-21-18/h4-6,11,16-17H,7-10,12-15H2,1-3H3
InChIKeyLRGWOPWKHXCPLW-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.95
Rot. Bonds2

About tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate

tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate (PubChem CID 54587812) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate
PubChem CID54587812
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Nametert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-14-9-17(10-15-23)16-7-12-22(13-8-16)18-6-4-5-11-21-18/h4-6,11,16-17H,7-10,12-15H2,1-3H3
InChIKeyLRGWOPWKHXCPLW-UHFFFAOYSA-N
XLogP3.95
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 2928555
2-(N-Boc-Amino)-3-methylpyridine
CID 11745848
2-Methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3233036
4,4-Dimethyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
CID 44276260
ethyl 4-[[1-(ethylcarbamoyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate
CID 73670858
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide
CID 156782594
(1-Pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
CID 89487613
[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487906
2-Methyl-1-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-one
CID 18340861
4-Boc-1-(5-bromo-2-pyridyl)piperazine
CID 11244775
Tert-butyl 4-[1-(pyridin-3-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 54580880
N-benzyl-2-methyl-N-(pyridin-2-yl)propanamide
CID 669246

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate (CID 54587812) is tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate?
The InChIKey is LRGWOPWKHXCPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-14-9-17(10-15-23)16-7-12-22(13-8-16)18-6-4-5-11-21-18/h4-6,11,16-17H,7-10,12-15H2,1-3H3.
What are the key properties of tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate has a molecular weight of 345.49 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-pyridin-2-ylpiperidin-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 54587812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).